# generated using pymatgen
data_Li3CuOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82385200
_cell_length_b   2.82385200
_cell_length_c   9.05375300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuOF3
_chemical_formula_sum   'Li3 Cu1 O1 F3'
_cell_volume   72.19589501
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.50000000  0.50000000  0.26817400  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.50000000  0.50000000  0.73182600  1
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1
  O  O4  1  0.50000000  0.50000000  0.00000000  1
  F  F5  1  0.00000000  0.00000000  0.27110600  1
  F  F6  1  0.50000000  0.50000000  0.50000000  1
  F  F7  1  0.00000000  0.00000000  0.72889400  1
